Assay Detail
Binding
CHEMBL797513
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Inhibition of HIV-1 reverse transcriptase.
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Human immunodeficiency virus 1 |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Target
Human immunodeficiency virus type 1 reverse transcriptase (CHEMBL247) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 12 | 4.70 | 5.37 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL58711 | TIVIRAPINE | 2.0 | 1 | 5.37 |
| CHEMBL58119 | — | — | 1 | 5.24 |
| CHEMBL59279 | — | — | 1 | 4.87 |
| CHEMBL58811 | — | — | 1 | 4.53 |
| CHEMBL433931 | — | — | 1 | 4.47 |
| CHEMBL293498 | — | — | 1 | 4.47 |
| CHEMBL46961 | — | — | 1 | 4.36 |
| CHEMBL58506 | — | — | 1 | 4.25 |
| CHEMBL298626 | — | — | 1 | - |
| CHEMBL58493 | — | — | 1 | - |
| CHEMBL292197 | — | — | 1 | - |
| CHEMBL293271 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL58711 | TIVIRAPINE | IC50 | = | 4300.0 | nM | 5.37 |
| CHEMBL58119 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL59279 | — | IC50 | = | 13600.0 | nM | 4.87 |
| CHEMBL58811 | — | IC50 | = | 29500.0 | nM | 4.53 |
| CHEMBL433931 | — | IC50 | = | 33900.0 | nM | 4.47 |
| CHEMBL293498 | — | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL46961 | — | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL58506 | — | IC50 | = | 56300.0 | nM | 4.25 |
| CHEMBL298626 | — | IC50 | = | 437100.0 | nM | - |
| CHEMBL58493 | — | IC50 | = | 989000.0 | nM | - |
| CHEMBL292197 | — | IC50 | = | 3155000.0 | nM | - |
| CHEMBL293271 | — | IC50 | = | 1140000.0 | nM | - |